Geometry & MOs

Info

ID:	447355
PubChem CID:	135282224
Reduced:	BrNF3O4C14H17 (1)
Stoich.:	ABC3D4E14F17 (1)
Weight, g/mol:	334.156039
ΔH_f, kcal/mol:	-291.01
Dipole, Da:	6.6
IP(EA), eV:	-9.46(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-[6-(2-chloropyrimidin-4-yl)-2-methylpyridin-3-yl]oxy-2,4-dimethylpentan-2-amine

Drug info:

PubChemData

Smile

CC(C)CC(C)N(C(=O)O)OC1=C(C=C(C=C1)Br)OC(F)(F)F

DOS

IR

Vibrations